2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one

C12H17N3O — CID 136973985

IUPAC2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one
SMILESCC(Nc1cc(=O)[nH]c(C2CC2)n1)C1CC1
InChIInChI=1S/C12H17N3O/c1-7(8-2-3-8)13-10-6-11(16)15-12(14-10)9-4-5-9/h6-9H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyIBKFKDCATFRZMZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.86
Rot. Bonds4

About 2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one (PubChem CID 136973985) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one
PubChem CID136973985
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one
SMILESCC(Nc1cc(=O)[nH]c(C2CC2)n1)C1CC1
InChIInChI=1S/C12H17N3O/c1-7(8-2-3-8)13-10-6-11(16)15-12(14-10)9-4-5-9/h6-9H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyIBKFKDCATFRZMZ-UHFFFAOYSA-N
XLogP1.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one
CID 137016449
2-cyclopropyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958788
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 136976806
2-cyclopropyl-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974892
2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 137011768
2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824093
2-cyclopropyl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one
CID 136975504
2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136976762
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 136959362
2-cyclopropyl-4-[1-(furan-2-yl)propan-2-ylamino]-1H-pyrimidin-6-one
CID 136974495
2-cyclopropyl-4-(2-methylbut-3-yn-2-ylamino)-1H-pyrimidin-6-one
CID 136975839
2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883380

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one (CID 136973985) is 2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one is CC(Nc1cc(=O)[nH]c(C2CC2)n1)C1CC1.
What is the InChIKey of 2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one?
The InChIKey is IBKFKDCATFRZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7(8-2-3-8)13-10-6-11(16)15-12(14-10)9-4-5-9/h6-9H,2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one has a molecular weight of 219.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).